CID 3837497

4-(4-methylphenoxy)piperidine

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1=CC=C(C=C1)OC2CCNCC2
InChI
InChI=1S/C12H17NO/c1-10-2-4-11(5-3-10)14-12-6-8-13-9-7-12/h2-5,12-13H,6-9H2,1H3
InChIKey
FFFNUHGMXGAUFY-UHFFFAOYSA-N
Compound name
4-(4-methylphenoxy)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

191.13101 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.5
[M+Na]+ 214.12023 148.3
[M-H]- 190.12373 146.5
[M+NH4]+ 209.16483 160.6
[M+K]+ 230.09417 145.0
[M+H-H2O]+ 174.12827 135.9
[M+HCOO]- 236.12921 161.6
[M+CH3COO]- 250.14486 180.2
[M+Na-2H]- 212.10568 148.5
[M]+ 191.13046 138.0
[M]- 191.13156 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe